SCHEMBL4680106

SCHEMBL4680106

CN(C)CCC(=O)OCc1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.45
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
STAT6 P42226 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4683250 0.92 FOLH1 (0.43) FOLH1TP53HTTSMN1; SMN2MRGPRX4
SCHEMBL4685591 0.85 FOLH1 (0.47) FOLH1TP53HTTMRGPRX4PPARG
SCHEMBL11615588 0.83 TP53 (0.48) FOLH1TP53HTTSMN1; SMN2MRGPRX4
SCHEMBL8839197 0.82 HTT (0.47) FOLH1TP53HTTSMN1; SMN2MRGPRX4
SCHEMBL13407447 0.80 ALDH1A1 (0.58) EGFRALDH1A1KMT2ALTA4H
SCHEMBL23832315 0.79 KDM4E (0.55) TP53HTTALDH1A1CYP3A4TSHR
SCHEMBL4686604 0.79 HTT (0.44) FOLH1TP53HTTMRGPRX4PPARG
SCHEMBL31509765 0.78 KDM4E (0.54) TP53HTTALDH1A1CYP3A4HSD17B10
SCHEMBL23844744 0.78 KDM4E (0.54) TP53HTTALDH1A1CYP3A4HSD17B10
SCHEMBL30203380 0.78 KDM4E (0.54) TP53HTTALDH1A1CYP3A4HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP claimed
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP disclosed